N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-phenethyl-1,3-benzothiazol-5-yl)benzamide Formula: C36H30N4O5S3 MolecularWeight: 694.8422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H30N4O5S3/c41-36(39-48(44,45)30-17-18-31(33(24-30)40(42)43)37-21-22-46-29-9-5-2-6-10-29)27-14-12-26(13-15-27)28-16-19-34-32(23-28)38-35(47-34)20-11-25-7-3-1-4-8-25/h1-10,12-19,23-24,37H,11,20-22H2,(H,39,41)